Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.50 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10996124 | 0.82 | LOXL2 (0.46) | LOXL2HRH1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1677975 | 0.82 | ALDH1A1 (0.63) | LOXL2SMN1; SMN2NPC1RAB9AFFAR1 | |
| SCHEMBL3576313 | 0.79 | HTT (0.45) | LOXL2HRH1FFAR1TDP1LMNA | |
| SCHEMBL1678505 | 0.79 | HTT (0.45) | LOXL2HRH1FFAR1TDP1LMNA | |
| SCHEMBL14889554 | 0.77 | LOXL2 (0.47) | LOXL2HRH1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6573723 | 0.76 | FFAR1 (0.52) | LOXL2HRH1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL151822 | 0.76 | LOXL2 (0.68) | LOXL2HRH1TDP1LMNAALDH1A1 | |
| Lithium Ion SCHEMBL28456336 | 0.76 | FFAR1 (0.47) | LOXL2HRH1SMN1; SMN2NPC1RAB9A | |
| Potassium Ion SCHEMBL29020100 | 0.76 | FFAR1 (0.47) | LOXL2HRH1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11000479 | 0.76 | LOXL2 (0.45) | LOXL2HRH1FFAR1TDP1LMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104024232-A | NOVEL PYRAZINE DERIVATIVES | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | claimed |
| CN-104024232-A | NOVEL PYRAZINE DERIVATIVES | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | disclosed |
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |